BIAdb CODEINE PHOSPHATE 1837

BIAdb CODEINE PHOSPHATE 1837
Systematic (IUPAC) name
N/A
Identifiers
CAS number	?
ATC code	?
PubChem	24848030
Chemical data
Formula	C₄₄H₅₉Cl₂N₄O₉PS
Mol. mass	921.905421
SMILES	eMolecules & PubChem
Pharmacokinetic data
Bioavailability	?
Metabolism	?
Half life	?
Excretion	?
Therapeutic considerations
Pregnancy cat.	?
Legal status
Routes	?

[edit] Description

N/A

Unknown

*Molecular Weight

921.905421

*Exact Mass

920.311742

*Molecular Formula

C₄₄H₅₉Cl₂N₄O₉PS

*IUPAC NAME

N/A

*Canonical Smiles

CC(CN1C2=CC=CC=C2SC3=CC=CC=C31)N(C)C.CNCC(C1=CC(=CC=C1)O)O.CN1CCC23C4C1CC5=C2C(=C(C=C5)OC)OC3C(C=C4)O.OP(=O)(O)O.Cl.Cl

*Isomeric Smiles

CC(CN1C2=CC=CC=C2SC3=CC=CC=C31)N(C)C.CNC[C@H](C1=CC(=CC=C1)O)O.CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3[C@H](C=C4)O.OP(=O)(O)O.Cl.Cl

*XLogP

N/A

*Hydrogen bond donor

9

*Hydrogen bond acceptor

13

*Rotational Bond Count

7

*Topological Polar Surface Area

179